2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene

C20H16N2Si — CID 165170188

IUPAC2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
SMILESC[Si]1(C)c2ccccc2-c2nccc3c2c1cc1cnccc13
InChIInChI=1S/C20H16N2Si/c1-23(2)17-6-4-3-5-16(17)20-19-15(8-10-22-20)14-7-9-21-12-13(14)11-18(19)23/h3-12H,1-2H3
InChIKeyAIZUULXUTGYWIP-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.59
Rot. Bonds

About 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene

2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene (PubChem CID 165170188) has the molecular formula C20H16N2Si and a molecular weight of 312.45 g/mol. Its IUPAC name is 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
PubChem CID165170188
Molecular FormulaC20H16N2Si
Molecular Weight312.45 g/mol
Exact Mass312.11
IUPAC Name2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
SMILESC[Si]1(C)c2ccccc2-c2nccc3c2c1cc1cnccc13
InChIInChI=1S/C20H16N2Si/c1-23(2)17-6-4-3-5-16(17)20-19-15(8-10-22-20)14-7-9-21-12-13(14)11-18(19)23/h3-12H,1-2H3
InChIKeyAIZUULXUTGYWIP-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene with MolForge

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Related Compounds

2,2-dimethyl-4,10-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3(8),4,6,9,11,13(21),14,16,18-decaene
CID 165170345
6,8,28,28-tetramethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880842
CID 165170222
CID 165170222
5,5-dimethyl-[1]benzosilino[3,2-c]pyridin-10-one
CID 12643272
2,12,17-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one
CID 122207278
28,28-difluoro-6,8-dimethyl-7,16-diaza-28-silaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176881001
8-bromo-1-isoquinolin-8-ylisoquinoline
CID 67483045
16,18-dimethyl-2-thia-10,17-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 165170193
1-(2,5-dimethylphenyl)-2,9-phenanthroline
CID 67025184
3,8-phenanthroline
CID 13064691
12,12,15-trimethyl-7,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748235
4-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaene
CID 146641531

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene (CID 165170188) is 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene is C[Si]1(C)c2ccccc2-c2nccc3c2c1cc1cnccc13.
What is the InChIKey of 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is AIZUULXUTGYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2Si/c1-23(2)17-6-4-3-5-16(17)20-19-15(8-10-22-20)14-7-9-21-12-13(14)11-18(19)23/h3-12H,1-2H3.
What are the key properties of 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene?
2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 312.45 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-10,17-diaza-2-silapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 165170188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).